2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid

C16H20O2 — CID 117049182

IUPAC2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid
SMILESC=CCC(C)(C(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20O2/c1-3-10-16(2,15(17)18)14-9-8-12-6-4-5-7-13(12)11-14/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,18)
InChIKeyRWAPWJMOTCJLSF-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.48
Rot. Bonds4

About 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid

2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid (PubChem CID 117049182) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid.

Molecular Properties

Compound Name2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid
PubChem CID117049182
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid
SMILESC=CCC(C)(C(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20O2/c1-3-10-16(2,15(17)18)14-9-8-12-6-4-5-7-13(12)11-14/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,18)
InChIKeyRWAPWJMOTCJLSF-UHFFFAOYSA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine
CID 117049338
2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid
CID 117049200
N-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 101124562
N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 10999367
2-[[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]amino]acetamide
CID 115260325
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride
CID 117048916
2-methyl-2-(4-phenylmethoxyphenyl)pent-4-enoic acid
CID 21347999
2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 115136462
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 3052971
(2S)-2-(3,4-dichlorophenyl)-2-methylpent-4-enamide
CID 67695534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid?
The IUPAC name of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid (CID 117049182) is 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid.
What is the SMILES notation for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid?
The canonical SMILES for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid is C=CCC(C)(C(=O)O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid?
The InChIKey is RWAPWJMOTCJLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-3-10-16(2,15(17)18)14-9-8-12-6-4-5-7-13(12)11-14/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,18).
What are the key properties of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid?
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid has a molecular weight of 244.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid is sourced from PubChem (CID 117049182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).